Molecule

ID:91565

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁Cl₂N
Molecular Mass
240.12844
Exact Mass
239.02685472
Charge
0
InChI
InChI=1S/C12H10ClN.ClH/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14;/h1-8H,14H2;1H
InChIKey
XTPNZZLTBCGHRQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1ccccc1N.Cl
Isomeric Smiles
Nc1c(cccc1)c1ccc(cc1)Cl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.3880389
LogD (pH = 7.4)
3.395494
Log P
3.3955898
Molar Refractivity
60.6994
Polarizability
24.330673
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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